2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile

C9H8F3N3 — CID 118806694

IUPAC2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(CN)c1F
InChIInChI=1S/C9H8F3N3/c10-8-5(4-14)3-7(9(11)12)15-6(8)1-2-13/h3,9H,1,4,14H2
InChIKeyKRRZRWXMCPEECL-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile

2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile (PubChem CID 118806694) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
PubChem CID118806694
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)cc(CN)c1F
InChIInChI=1S/C9H8F3N3/c10-8-5(4-14)3-7(9(11)12)15-6(8)1-2-13/h3,9H,1,4,14H2
InChIKeyKRRZRWXMCPEECL-UHFFFAOYSA-N
XLogP1.68
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile (CID 118806694) is 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)cc(CN)c1F.
What is the InChIKey of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is KRRZRWXMCPEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-8-5(4-14)3-7(9(11)12)15-6(8)1-2-13/h3,9H,1,4,14H2.
What are the key properties of 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 215.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118806694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).